3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid

C19H21NO5 — CID 45461296

IUPAC3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
SMILESCCOc1ccccc1OCC(=O)NC(CC(=O)O)c1ccccc1
InChIInChI=1S/C19H21NO5/c1-2-24-16-10-6-7-11-17(16)25-13-18(21)20-15(12-19(22)23)14-8-4-3-5-9-14/h3-11,15H,2,12-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyZAVRTITVKQVWMX-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.80
Rot. Bonds9

About 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid

3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid (PubChem CID 45461296) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
PubChem CID45461296
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
SMILESCCOc1ccccc1OCC(=O)NC(CC(=O)O)c1ccccc1
InChIInChI=1S/C19H21NO5/c1-2-24-16-10-6-7-11-17(16)25-13-18(21)20-15(12-19(22)23)14-8-4-3-5-9-14/h3-11,15H,2,12-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyZAVRTITVKQVWMX-UHFFFAOYSA-N
XLogP2.80
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-ethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 3938884
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 18121206
2-(2-ethoxyphenoxy)-N-[(1R)-2-methyl-1-phenylpropyl]acetamide
CID 9050837
(3R)-3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7045026
3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 3992171
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461286
(3S)-3-(4-chlorophenyl)-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid
CID 7045006
2-(2-ethoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 8798273
3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 45431827
methyl (3S)-3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 51558007
2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28958838

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid (CID 45461296) is 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid is CCOc1ccccc1OCC(=O)NC(CC(=O)O)c1ccccc1.
What is the InChIKey of 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is ZAVRTITVKQVWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-2-24-16-10-6-7-11-17(16)25-13-18(21)20-15(12-19(22)23)14-8-4-3-5-9-14/h3-11,15H,2,12-13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid?
3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 343.38 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 45461296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).